[1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol

C14H27NO2S — CID 107764576

IUPAC[1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCSC1CCOC1C
InChIInChI=1S/C14H27NO2S/c1-11-13(5-8-17-11)18-9-6-12-4-3-7-14(12,10-16)15-2/h11-13,15-16H,3-10H2,1-2H3
InChIKeyKBSXQBNSMOMIRO-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.04
Rot. Bonds6

About [1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol

[1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol (PubChem CID 107764576) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is [1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol
PubChem CID107764576
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name[1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCSC1CCOC1C
InChIInChI=1S/C14H27NO2S/c1-11-13(5-8-17-11)18-9-6-12-4-3-7-14(12,10-16)15-2/h11-13,15-16H,3-10H2,1-2H3
InChIKeyKBSXQBNSMOMIRO-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol?
The IUPAC name of [1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol (CID 107764576) is [1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol?
The canonical SMILES for [1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol is CNC1(CO)CCCC1CCSC1CCOC1C.
What is the InChIKey of [1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol?
The InChIKey is KBSXQBNSMOMIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-11-13(5-8-17-11)18-9-6-12-4-3-7-14(12,10-16)15-2/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of [1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol?
[1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol has a molecular weight of 273.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol is sourced from PubChem (CID 107764576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).